General
Preferred name
Gentianine
Synonyms
P&D ID
PD127696
CAS
439-89-4
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Gentianine, an active metabolite of Swertiamarin, has anti-diabetic effect and anti-inflammatory property[1][2].
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-N6039
Novartis Chemogenetic Library (NIBR MoA Box)
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
175.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
1.44
TPSA
39.19
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Member status
virtual
MOA
"IL-6 Production Inhibitors
TNF-alpha Production Inhibitors
Glucocorticoid Receptor agonist"
IL-6 Production Inhibitors
Glucocorticoid Receptor agonist
Source data